#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ilo s MET 2 N 0.00 3.86 -0.18 3.17 -2.45 0.12 -4.77 119.30 119.05 1ilo s MET 2 Ca 0.00 0.67 -0.29 0.00 -1.25 0.00 0.00 55.69 54.81 1ilo s MET 2 Cb 0.00 -3.81 -0.02 0.00 1.25 0.00 0.00 34.83 32.26 1ilo s MET 2 CO 0.00 -1.01 1.32 0.15 1.05 0.00 0.00 175.02 176.53 1ilo s LYS 3 N 3.66 4.15 -0.16 4.11 3.01 -1.26 -1.00 119.74 132.25 1ilo s LYS 3 Ca 0.41 1.63 0.00 0.00 -1.01 0.00 0.00 55.97 57.00 1ilo s LYS 3 Cb -0.11 -3.82 0.03 0.00 -1.01 0.00 0.00 37.83 32.92 1ilo s LYS 3 CO 0.20 -0.82 -0.11 0.42 0.51 0.00 0.00 175.35 175.55 1ilo s ILE 4 N 3.79 1.47 -0.20 2.17 1.09 -0.51 -1.20 121.20 127.80 1ilo s ILE 4 Ca 0.57 -0.68 -0.04 0.00 -1.10 0.00 0.00 60.65 59.40 1ilo s ILE 4 Cb -0.22 -1.46 -0.01 0.00 -1.06 0.00 0.00 42.46 39.71 1ilo s ILE 4 CO 0.18 0.34 -0.04 0.00 -0.10 0.00 0.00 174.94 175.32 1ilo s GLN 5 N 1.51 3.45 -0.37 2.79 -2.07 -0.95 -1.92 119.66 122.11 1ilo s GLN 5 Ca 0.03 -0.60 -0.11 0.00 -1.82 0.00 0.00 55.36 52.86 1ilo s GLN 5 Cb -0.14 -2.99 0.02 0.00 -1.09 0.00 0.00 33.01 28.82 1ilo s GLN 5 CO -0.09 -0.09 0.20 0.96 -1.32 0.00 0.00 175.29 174.95 1ilo s ILE 6 N 1.20 4.54 -0.21 3.63 -4.36 -1.12 -2.46 121.20 122.42 1ilo s ILE 6 Ca 0.03 -0.83 -0.19 0.00 -0.26 0.00 0.00 60.65 59.39 1ilo s ILE 6 Cb -0.14 -3.52 -0.03 0.00 1.25 0.00 0.00 42.46 40.02 1ilo s ILE 6 CO -0.01 -0.20 0.57 -0.31 0.24 0.00 0.00 174.94 175.22 1ilo s TYR 7 N 1.55 3.35 0.00 1.37 2.02 0.86 -1.38 117.35 125.12 1ilo s TYR 7 Ca 0.02 0.81 0.00 0.00 -0.37 0.00 0.00 57.07 57.53 1ilo s TYR 7 Cb -0.19 -2.74 0.00 0.00 -0.40 0.00 0.00 41.96 38.63 1ilo s TYR 7 CO 0.06 -0.18 0.00 0.41 -1.57 0.00 0.00 175.55 174.28 1ilo n GLY 8 N 3.96 2.51 5.09 0.71 0.00 -1.26 -2.88 105.19 113.33 1ilo n GLY 8 Ca -0.03 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1ilo n GLY 8 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ilo n THR 9 N 0.00 0.00 0.00 2.61 -1.04 -1.26 -4.36 114.28 110.23 1ilo n THR 9 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1ilo n THR 9 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1ilo n THR 9 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ilo n GLY 10 N 0.00 -1.66 0.37 3.41 0.00 -1.26 -3.92 105.19 102.12 1ilo n GLY 10 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 1ilo n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ilo s ALA 12 N -4.41 3.59 -0.87 0.00 0.00 -1.25 -4.92 121.76 113.90 1ilo s ALA 12 Ca -0.04 0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.99 1ilo s ALA 12 Cb 0.13 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.89 1ilo s ALA 12 CO 0.44 -0.83 0.48 0.09 0.00 0.00 0.00 175.76 175.93 1ilo n ASN 13 N 5.71 1.06 0.15 0.00 3.02 -1.26 -4.06 115.26 119.88 1ilo n ASN 13 Ca 0.07 -1.68 0.19 0.00 -0.03 0.00 0.00 54.58 53.14 1ilo n ASN 13 Cb 0.48 -0.42 0.75 0.00 -0.61 0.00 0.00 39.78 39.98 1ilo n ASN 13 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ilo h GLN 15 N 0.00 0.00 0.57 0.00 3.07 -1.86 0.22 115.11 117.11 1ilo h GLN 15 Ca 0.15 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.86 1ilo h GLN 15 Cb 1.01 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.57 1ilo h GLN 15 CO -0.00 0.00 -0.28 0.52 0.09 0.00 0.00 178.83 179.16 1ilo h MET 16 N 0.00 -0.74 0.00 0.06 2.86 -1.59 -2.92 114.93 112.60 1ilo h MET 16 Ca 0.43 0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 58.12 1ilo h MET 16 Cb 1.97 0.17 -0.00 0.00 0.06 0.00 0.00 31.60 33.80 1ilo h MET 16 CO -0.00 -0.49 -0.00 1.25 1.06 0.00 0.00 176.91 178.72 1ilo h LEU 17 N -0.96 0.00 -0.05 1.22 5.85 -1.48 -2.77 115.31 117.12 1ilo h LEU 17 Ca -0.08 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.65 1ilo h LEU 17 Cb 0.59 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 1ilo h LEU 17 CO 0.13 0.00 -0.00 -0.08 -0.34 0.00 0.00 178.44 178.15 1ilo h GLU 18 N 0.00 0.01 0.00 1.25 4.22 -0.50 0.61 114.58 120.18 1ilo h GLU 18 Ca -0.00 -0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.44 1ilo h GLU 18 Cb 0.42 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1ilo h GLU 18 CO 0.00 0.01 -0.00 -0.22 -2.18 0.00 0.00 179.01 176.62 1ilo h LYS 19 N 0.01 -0.00 -0.12 1.92 3.64 -1.38 -2.82 116.57 117.82 1ilo h LYS 19 Ca 0.02 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.44 1ilo h LYS 19 Cb 0.03 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 1ilo h LYS 19 CO -0.05 0.65 -0.08 -0.91 -2.27 0.00 0.00 179.45 176.79 1ilo h ASN 20 N -0.66 -0.27 -0.85 4.20 2.35 -1.46 -2.21 115.58 116.67 1ilo h ASN 20 Ca -0.00 0.06 0.07 0.00 -0.55 0.00 0.00 56.30 55.88 1ilo h ASN 20 Cb 0.65 0.14 -0.06 0.00 0.05 0.00 0.00 38.32 39.10 1ilo h ASN 20 CO 0.00 -0.12 0.52 0.00 -1.65 0.00 0.00 177.43 176.18 1ilo h ALA 21 N 1.00 1.18 -0.54 -0.83 0.00 0.14 0.14 119.26 120.36 1ilo h ALA 21 Ca 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ilo h ALA 21 Cb 0.20 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1ilo h ALA 21 CO -0.17 0.23 0.33 0.00 0.00 0.00 0.00 179.25 179.63 1ilo h ARG 22 N 0.92 0.73 -0.07 0.00 3.08 -1.16 0.40 114.38 118.27 1ilo h ARG 22 Ca 0.38 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 60.28 1ilo h ARG 22 Cb 0.23 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1ilo h ARG 22 CO -0.19 0.52 -0.31 1.05 -1.07 0.00 0.00 179.97 179.96 1ilo h GLU 23 N 0.72 0.33 -0.06 0.04 4.11 -0.90 -2.97 114.58 115.85 1ilo h GLU 23 Ca 0.19 -0.26 -0.00 0.00 0.07 0.00 0.00 59.36 59.35 1ilo h GLU 23 Cb -0.03 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1ilo h GLU 23 CO -0.04 0.91 0.02 0.00 0.07 0.00 0.00 179.01 179.97 1ilo h ALA 24 N 0.42 0.08 0.05 1.06 0.00 -0.67 0.61 119.26 120.82 1ilo h ALA 24 Ca -0.02 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.81 1ilo h ALA 24 Cb 0.96 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 1ilo h ALA 24 CO 0.06 -0.32 -0.33 -0.24 0.00 0.00 0.00 179.25 178.43 1ilo h VAL 25 N -0.10 0.30 -0.35 0.00 3.04 -0.31 0.74 116.25 119.57 1ilo h VAL 25 Ca 0.02 0.00 -0.09 0.00 -1.01 0.00 0.00 66.70 65.62 1ilo h VAL 25 Cb 0.21 0.30 -0.01 0.00 -2.01 0.00 0.00 31.29 29.78 1ilo h VAL 25 CO -0.00 0.00 -0.14 0.50 -1.01 0.00 0.00 177.57 176.92 1ilo h LYS 26 N -0.51 0.71 -0.35 4.17 3.11 -1.21 -2.50 116.57 119.99 1ilo h LYS 26 Ca 0.05 -0.30 0.02 0.00 -2.81 0.00 0.00 60.65 57.61 1ilo h LYS 26 Cb 0.57 -0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 31.75 1ilo h LYS 26 CO -0.24 0.90 0.19 1.49 -2.81 0.00 0.00 179.45 178.98 1ilo h GLU 27 N 0.49 0.37 -0.02 1.90 4.81 0.59 -0.65 114.58 122.07 1ilo h GLU 27 Ca 0.08 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1ilo h GLU 27 Cb 0.67 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.97 1ilo h GLU 27 CO 0.05 0.25 0.28 -0.07 -0.73 0.00 0.00 179.01 178.78 1ilo h LEU 28 N 0.38 0.00 0.00 1.64 -0.00 0.51 -3.44 115.31 114.40 1ilo h LEU 28 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.03 1ilo h LEU 28 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.70 1ilo h LEU 28 CO -0.09 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 178.96 1ilo n GLY 29 N -1.22 0.97 3.16 0.83 0.00 -0.27 -5.10 105.19 103.57 1ilo n GLY 29 Ca -0.02 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.06 1ilo n GLY 29 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ilo s ILE 30 N -1.71 -0.31 1.00 -0.61 -4.36 -0.94 -5.02 121.20 109.25 1ilo s ILE 30 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 60.65 60.28 1ilo s ILE 30 Cb 0.00 -1.00 0.19 0.00 1.25 0.00 0.00 42.46 42.90 1ilo s ILE 30 CO 0.00 0.00 1.10 -0.62 0.24 0.00 0.00 174.94 175.66 1ilo s ASP 31 N 2.91 2.26 0.29 4.36 2.15 -1.26 -1.93 116.67 125.45 1ilo s ASP 31 Ca -0.02 1.90 -0.02 0.00 0.43 0.00 0.00 52.55 54.84 1ilo s ASP 31 Cb -0.10 -2.46 -0.02 0.00 -0.30 0.00 0.00 42.92 40.05 1ilo s ASP 31 CO -0.11 -3.47 0.36 0.00 -0.17 0.00 0.00 175.17 171.78 1ilo s ALA 32 N -2.60 0.86 -0.22 3.66 0.00 -1.26 0.14 121.76 122.34 1ilo s ALA 32 Ca 0.67 -1.53 -0.02 0.00 0.00 0.00 0.00 51.96 51.08 1ilo s ALA 32 Cb -0.23 1.25 0.06 0.00 0.00 0.00 0.00 23.12 24.21 1ilo s ALA 32 CO 0.60 -0.73 0.02 -1.21 0.00 0.00 0.00 175.76 174.44 1ilo s GLU 33 N -3.59 0.93 -0.42 0.00 8.01 -0.17 -4.75 118.70 118.71 1ilo s GLU 33 Ca 0.33 -0.64 -0.14 0.00 0.01 0.00 0.00 54.97 54.52 1ilo s GLU 33 Cb 0.02 -2.24 0.03 0.00 -4.31 0.00 0.00 34.13 27.64 1ilo s GLU 33 CO 0.17 -0.66 0.31 -0.06 0.01 0.00 0.00 175.26 175.02 1ilo s PHE 34 N 1.71 3.24 -0.09 1.61 0.40 -1.26 -1.42 117.98 122.17 1ilo s PHE 34 Ca -0.01 -0.74 0.04 0.00 -0.60 0.00 0.00 56.93 55.62 1ilo s PHE 34 Cb -0.18 -2.70 -0.00 0.00 0.51 0.00 0.00 43.02 40.65 1ilo s PHE 34 CO -0.09 -0.65 -0.24 -2.00 0.70 0.00 0.00 175.22 172.94 1ilo s GLU 35 N 1.65 2.95 0.27 0.44 2.12 -0.81 -5.03 118.70 120.30 1ilo s GLU 35 Ca 0.04 -0.88 -0.28 0.00 0.36 0.00 0.00 54.97 54.22 1ilo s GLU 35 Cb -0.20 -2.28 -0.09 0.00 0.26 0.00 0.00 34.13 31.81 1ilo s GLU 35 CO 0.09 0.23 0.93 0.15 -0.54 0.00 0.00 175.26 176.11 1ilo s LYS 36 N 0.23 4.72 -0.72 4.30 3.01 -1.26 -2.80 119.74 127.22 1ilo s LYS 36 Ca -0.15 1.39 0.04 0.00 -1.01 0.00 0.00 55.97 56.24 1ilo s LYS 36 Cb -0.17 -3.07 0.26 0.00 -1.01 0.00 0.00 37.83 33.84 1ilo s LYS 36 CO 0.08 0.42 0.85 0.44 0.51 0.00 0.00 175.35 177.65 1ilo n ILE 37 N 1.09 2.82 -1.88 2.17 -0.00 -0.48 -4.90 119.36 118.18 1ilo n ILE 37 Ca -0.01 -5.32 -0.39 0.00 -0.00 0.00 0.00 62.75 57.04 1ilo n ILE 37 Cb 0.48 -2.11 -0.03 0.00 -0.00 0.00 0.00 39.64 37.99 1ilo n ILE 37 CO 0.00 0.00 0.00 2.29 -0.00 0.00 0.00 176.55 178.84 1ilo n LYS 38 N 0.99 2.20 0.00 6.28 0.00 -1.26 -3.99 118.16 122.38 1ilo n LYS 38 Ca 0.29 -2.52 0.00 0.00 -0.00 0.00 0.00 58.31 56.07 1ilo n LYS 38 Cb 0.39 -3.37 0.00 0.00 -0.00 0.00 0.00 35.03 32.05 1ilo n LYS 38 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1ilo n GLU 39 N 7.55 0.00 0.01 -1.58 1.02 -1.26 -5.01 120.64 121.37 1ilo n GLU 39 Ca 0.49 0.00 0.22 0.00 -0.02 0.00 0.00 57.16 57.85 1ilo n GLU 39 Cb 0.43 0.00 0.73 0.00 -0.02 0.00 0.00 31.44 32.58 1ilo n GLU 39 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ilo h MET 40 N 0.00 0.00 -1.00 3.49 -0.00 -1.97 0.41 114.93 115.86 1ilo h MET 40 Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 59.70 59.88 1ilo h MET 40 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 31.60 31.50 1ilo h MET 40 CO 0.00 0.00 0.61 -0.44 -0.00 0.00 0.00 176.91 177.08 1ilo h ASP 41 N 0.00 0.79 0.36 -0.10 3.32 -1.95 0.97 116.42 119.82 1ilo h ASP 41 Ca 0.26 0.09 -0.32 0.00 0.02 0.00 0.00 57.03 57.08 1ilo h ASP 41 Cb 1.19 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.66 1ilo h ASP 41 CO -0.00 0.30 -1.72 1.56 -1.72 0.00 0.00 179.24 177.65 1ilo h GLN 42 N 0.78 0.19 0.45 3.56 1.08 -0.59 -3.24 115.11 117.33 1ilo h GLN 42 Ca 0.57 -0.32 -0.02 0.00 -1.45 0.00 0.00 58.65 57.43 1ilo h GLN 42 Cb 0.87 0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.42 1ilo h GLN 42 CO -0.37 0.98 -0.22 0.82 -0.95 0.00 0.00 178.83 179.10 1ilo h ILE 43 N 0.05 0.55 -0.32 2.54 2.04 0.71 -2.44 117.51 120.64 1ilo h ILE 43 Ca -0.31 -0.17 0.03 0.00 1.00 0.00 0.00 64.86 65.41 1ilo h ILE 43 Cb 2.02 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 38.72 1ilo h ILE 43 CO 0.12 0.03 0.22 0.17 0.00 0.00 0.00 178.15 178.68 1ilo h LEU 44 N -0.71 0.26 -1.14 1.44 -0.00 0.69 0.29 115.31 116.14 1ilo h LEU 44 Ca -0.06 -0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.84 1ilo h LEU 44 Cb 0.51 -0.06 -0.05 0.00 -0.00 0.00 0.00 40.66 41.07 1ilo h LEU 44 CO 0.10 0.18 0.58 -0.08 -0.00 0.00 0.00 178.44 179.22 1ilo h GLU 45 N 0.30 1.12 -0.43 0.17 4.81 -1.50 -1.18 114.58 117.87 1ilo h GLU 45 Ca 0.13 -0.07 -0.13 0.00 -0.13 0.00 0.00 59.36 59.16 1ilo h GLU 45 Cb 0.16 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1ilo h GLU 45 CO -0.03 0.74 -0.25 0.00 -0.73 0.00 0.00 179.01 178.74 1ilo h ALA 46 N 1.47 0.61 0.00 2.92 0.00 -0.51 -3.47 119.26 120.27 1ilo h ALA 46 Ca 0.34 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ilo h ALA 46 Cb -0.06 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1ilo h ALA 46 CO -0.09 0.61 0.00 0.41 0.00 0.00 0.00 179.25 180.19 1ilo n GLY 47 N -0.02 0.40 0.00 0.00 0.00 -0.45 -4.91 105.19 100.22 1ilo n GLY 47 Ca -0.01 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1ilo n GLY 47 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1ilo n LEU 48 N 0.00 0.00 0.00 0.99 -0.00 -1.26 -4.95 117.00 111.78 1ilo n LEU 48 Ca 0.00 0.13 0.00 0.00 -0.00 0.00 0.00 56.01 56.14 1ilo n LEU 48 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.71 1ilo n LEU 48 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.39 177.80 1ilo n THR 49 N -0.21 0.00 -3.68 1.47 -1.04 -1.26 -5.01 114.28 104.55 1ilo n THR 49 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1ilo n THR 49 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1ilo n THR 49 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ilo n ALA 50 N 0.00 0.00 -0.06 2.41 0.00 -1.26 -4.98 120.51 116.62 1ilo n ALA 50 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1ilo n ALA 50 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1ilo n ALA 50 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ilo h LEU 51 N 0.00 0.00 -5.27 0.00 4.07 -1.92 -3.39 115.31 108.80 1ilo h LEU 51 Ca 0.00 -0.04 -0.28 0.00 0.08 0.00 0.00 57.88 57.64 1ilo h LEU 51 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1ilo h LEU 51 CO 0.00 0.62 1.91 -2.65 -1.08 0.00 0.00 178.44 177.24 1ilo n PRO 52 N -4.71 1.67 -2.83 1.13 -0.02 -1.25 -4.15 135.00 124.85 1ilo n PRO 52 Ca -0.03 -1.16 -0.40 0.00 -2.02 0.00 0.00 63.50 59.88 1ilo n PRO 52 Cb 0.12 -2.26 -0.06 0.00 -0.02 0.00 0.00 33.50 31.28 1ilo n PRO 52 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1ilo s GLY 53 N 3.33 3.04 -0.17 -1.23 0.00 -1.14 -3.88 107.32 107.27 1ilo s GLY 53 Ca 0.35 0.53 -0.04 0.00 0.00 0.00 0.00 44.72 45.56 1ilo s GLY 53 CO -0.02 1.10 0.06 1.08 0.00 0.00 0.00 173.10 175.32 1ilo s LEU 54 N -1.05 0.77 -0.25 0.66 1.43 -0.72 -0.10 118.68 119.42 1ilo s LEU 54 Ca 0.40 -0.67 -0.11 0.00 -1.03 0.00 0.00 54.13 52.71 1ilo s LEU 54 Cb -0.25 -0.43 -0.05 0.00 0.03 0.00 0.00 46.19 45.50 1ilo s LEU 54 CO 0.30 -0.32 0.19 0.00 0.23 0.00 0.00 176.35 176.75 1ilo s ALA 55 N 1.99 3.58 -0.06 4.21 0.00 -1.03 -2.86 121.76 127.59 1ilo s ALA 55 Ca 0.01 -0.93 0.04 0.00 0.00 0.00 0.00 51.96 51.07 1ilo s ALA 55 Cb -0.16 -2.40 -0.02 0.00 0.00 0.00 0.00 23.12 20.53 1ilo s ALA 55 CO -0.08 -0.33 -0.17 0.14 0.00 0.00 0.00 175.76 175.32 1ilo s VAL 56 N 1.33 2.83 -0.63 0.00 -7.23 -1.07 -2.23 120.40 113.40 1ilo s VAL 56 Ca 0.08 -0.79 0.00 0.00 -1.81 0.00 0.00 61.98 59.46 1ilo s VAL 56 Cb -0.14 -2.11 0.00 0.00 0.56 0.00 0.00 36.38 34.69 1ilo s VAL 56 CO 0.07 0.57 0.00 0.47 -0.31 0.00 0.00 175.10 175.90 1ilo n ASP 57 N 2.67 -2.44 -0.33 4.85 8.00 -0.34 0.11 116.55 129.07 1ilo n ASP 57 Ca -0.17 0.29 -0.01 0.00 0.71 0.00 0.00 54.79 55.60 1ilo n ASP 57 Cb 0.52 -2.22 0.00 0.00 -0.02 0.00 0.00 41.12 39.40 1ilo n ASP 57 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ilo n GLY 58 N -0.53 0.51 2.79 0.44 0.00 -1.26 -5.03 105.19 102.10 1ilo n GLY 58 Ca -0.08 -0.76 -0.16 0.00 0.00 0.00 0.00 46.02 45.02 1ilo n GLY 58 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ilo s GLU 59 N -4.41 0.41 0.28 1.61 0.41 0.30 -5.13 118.70 112.17 1ilo s GLU 59 Ca 0.01 -0.25 -0.30 0.00 -0.41 0.00 0.00 54.97 54.02 1ilo s GLU 59 Cb -0.01 -0.61 -0.11 0.00 -1.78 0.00 0.00 34.13 31.63 1ilo s GLU 59 CO 0.01 -1.07 1.60 -0.51 -0.49 0.00 0.00 175.26 174.81 1ilo s LEU 60 N 2.19 4.35 0.00 1.80 1.02 -1.26 -2.60 118.68 124.17 1ilo s LEU 60 Ca 0.11 2.93 0.00 0.00 0.02 0.00 0.00 54.13 57.19 1ilo s LEU 60 Cb -0.14 -3.63 0.00 0.00 0.02 0.00 0.00 46.19 42.44 1ilo s LEU 60 CO -0.26 -0.91 0.11 0.29 0.02 0.00 0.00 176.35 175.59 1ilo n LYS 61 N 2.36 0.00 -3.88 1.70 4.76 -1.14 -4.94 118.16 117.02 1ilo n LYS 61 Ca 0.09 -0.11 -0.18 0.00 -2.87 0.00 0.00 58.31 55.24 1ilo n LYS 61 Cb 0.37 -0.42 -0.17 0.00 -1.84 0.00 0.00 35.03 32.98 1ilo n LYS 61 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1ilo s ILE 62 N 0.00 0.17 -0.12 -0.18 1.09 -1.24 -5.00 121.20 115.92 1ilo s ILE 62 Ca 0.00 0.13 -0.06 0.00 -1.10 0.00 0.00 60.65 59.62 1ilo s ILE 62 Cb 0.00 -0.29 0.05 0.00 -1.06 0.00 0.00 42.46 41.17 1ilo s ILE 62 CO 0.00 0.16 0.27 -0.04 -0.10 0.00 0.00 174.94 175.23 1ilo s MET 63 N 1.26 0.21 0.00 2.79 -1.94 -1.26 -1.75 119.30 118.61 1ilo s MET 63 Ca -0.06 0.64 0.00 0.00 -1.71 0.00 0.00 55.69 54.55 1ilo s MET 63 Cb -0.13 -0.07 0.00 0.00 2.01 0.00 0.00 34.83 36.64 1ilo s MET 63 CO -0.02 -0.20 0.00 0.41 -0.01 0.00 0.00 175.02 175.20 1ilo n GLY 64 N 4.60 0.66 0.00 -0.03 0.00 -1.25 -4.84 105.19 104.32 1ilo n GLY 64 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1ilo n GLY 64 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ilo n ARG 65 N -2.19 0.00 -1.77 1.61 0.63 -1.26 -4.86 116.66 108.82 1ilo n ARG 65 Ca 0.00 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.52 1ilo n ARG 65 Cb 0.03 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 32.94 1ilo n ARG 65 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 1ilo n VAL 66 N 0.00 1.82 -0.77 5.15 3.14 -1.26 -4.92 118.33 121.49 1ilo n VAL 66 Ca 0.00 -0.46 -0.29 0.00 -2.96 0.00 0.00 64.34 60.64 1ilo n VAL 66 Cb 0.00 -1.95 0.22 0.00 -1.06 0.00 0.00 33.84 31.04 1ilo n VAL 66 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ilo s ALA 67 N -0.92 0.19 0.28 1.55 0.00 -1.26 -4.87 121.76 116.74 1ilo s ALA 67 Ca 0.55 -0.12 0.04 0.00 0.00 0.00 0.00 51.96 52.43 1ilo s ALA 67 Cb -0.48 -3.23 0.04 0.00 0.00 0.00 0.00 23.12 19.45 1ilo s ALA 67 CO 0.61 -3.40 0.33 0.45 0.00 0.00 0.00 175.76 173.75 1ilo n SER 68 N -4.60 1.31 0.39 0.00 2.88 -1.26 -4.08 113.62 108.27 1ilo n SER 68 Ca 0.05 -1.82 -0.18 0.00 -1.33 0.00 0.00 58.87 55.59 1ilo n SER 68 Cb 0.55 -0.15 -0.09 0.00 -0.75 0.00 0.00 64.21 63.77 1ilo n SER 68 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1ilo h LYS 69 N 0.00 -0.94 -0.79 -1.46 3.64 -1.97 -2.56 116.57 112.49 1ilo h LYS 69 Ca -0.15 0.06 0.17 0.00 -1.27 0.00 0.00 60.65 59.47 1ilo h LYS 69 Cb 0.62 0.21 -0.05 0.00 -0.41 0.00 0.00 32.23 32.60 1ilo h LYS 69 CO 0.22 -0.62 0.53 0.93 -2.27 0.00 0.00 179.45 178.24 1ilo h GLU 70 N -1.00 0.35 -0.59 1.90 3.07 -2.00 0.61 114.58 116.93 1ilo h GLU 70 Ca -0.10 -0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 58.69 1ilo h GLU 70 Cb 0.75 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.56 1ilo h GLU 70 CO 0.16 0.23 0.15 0.93 -1.40 0.00 0.00 179.01 179.09 1ilo h GLU 71 N 0.37 0.91 0.39 2.33 3.07 -1.87 -0.81 114.58 118.96 1ilo h GLU 71 Ca 0.40 -0.19 -0.02 0.00 -0.50 0.00 0.00 59.36 59.05 1ilo h GLU 71 Cb 1.00 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.78 1ilo h GLU 71 CO -0.12 0.81 -0.19 0.82 -1.40 0.00 0.00 179.01 178.93 1ilo h ILE 72 N 0.87 0.59 -0.47 3.13 2.04 -0.49 0.70 117.51 123.89 1ilo h ILE 72 Ca 0.19 -0.41 0.01 0.00 1.00 0.00 0.00 64.86 65.65 1ilo h ILE 72 Cb 0.30 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 1ilo h ILE 72 CO -0.00 0.07 0.31 0.50 0.00 0.00 0.00 178.15 179.03 1ilo h LYS 73 N -0.77 0.58 -0.02 2.37 3.64 -1.43 0.83 116.57 121.76 1ilo h LYS 73 Ca -0.05 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.13 1ilo h LYS 73 Cb 0.52 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 1ilo h LYS 73 CO 0.09 0.38 -0.73 -0.22 -2.27 0.00 0.00 179.45 176.70 1ilo h LYS 74 N 0.59 0.13 0.01 1.90 3.64 -1.03 -1.31 116.57 120.50 1ilo h LYS 74 Ca 0.18 -0.11 -0.24 0.00 -1.27 0.00 0.00 60.65 59.21 1ilo h LYS 74 Cb -0.01 0.03 0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1ilo h LYS 74 CO -0.04 0.80 -0.98 0.82 -2.27 0.00 0.00 179.45 177.78 1ilo h ILE 75 N 0.08 1.38 -0.01 2.00 1.08 0.21 -3.23 117.51 119.03 1ilo h ILE 75 Ca -0.02 -2.45 -0.17 0.00 -0.39 0.00 0.00 64.86 61.84 1ilo h ILE 75 Cb 1.29 2.44 -0.02 0.00 -3.07 0.00 0.00 36.82 37.47 1ilo h ILE 75 CO 0.11 0.73 -0.77 0.25 -0.69 0.00 0.00 178.15 177.78 1ilo h LEU 76 N 0.25 0.17 0.00 1.44 6.46 -0.86 -3.51 115.31 119.26 1ilo h LEU 76 Ca -0.09 -0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.55 1ilo h LEU 76 Cb 1.62 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 41.50 1ilo h LEU 76 CO 0.17 0.87 0.00 -0.24 -0.62 0.00 0.00 178.44 178.62